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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

PFAS remediation: Evaluating the infrared spectra of complex gaseous mixtures to determine the efficacy of thermal decomposition of PFAS

Due to their widespread production and known environmental contamination, the need for the detection and remediation of per- and polyfluoroalkyl substances (PFAS) has grown quickly. While destructive thermal treatment of PFAS at low temperatures (e.g., 200 to 500oC) is of interest due to lower energy and infrastructure requirements, the range of possible degradation products remains underexplored. To better understand the low temperature decomposition of PFAS species, we have coupled gas-phase infrared spectroscopy with a multivariate curve resolution (MCR) analysis and a database of high-resolution PFAS infrared reference spectra to detect and quantify a complex mixture resulting from potassium perfluorooctanesulfonate (PFOS-K) decomposition. Nine prevalent decomposition products (namely smaller perfluorocarbon species) are identified and quantified.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

A reduced order sulfuric acid decomposition model for a nuclear-powered hybrid sulfur cycle

A reduced order model of sulfuric acid decomposition within a bayonet chemical reactor was developed to support the U. S. Department of Energy Integrated Energy System program, and address the lack of knowledge in scaling and integration for joint chemical and nuclear processes. Sulfuric acid decomposition within a bayonet reactor was modeled to provide chemical and thermodynamic data relevant to advanced nuclear reactor-driven integrated energy systems based on desired operational scale and operational conditions. The temperature range required for high-temperature advanced nuclear reactor integrated energy systems, 750-850 °C, was shown to produce reasonable agreement (within a few percent relative error) with past models and experimental data, and yielded good efficiency results for bayonet reactor operations. The results of the reduced order model agreed with previous work from Savannah River National Labs within a maximum of 3.4% error on the decomposition of sulfur trioxide, and on previous Hybrid Sulfur flowsheets from Gorensek and Summers that showed operational temperature, pressure, and composition ranges for efficiency which made the Hybrid Sulfur cycle competitive with water electrolysis. Here, the agreement with previous high-fidelity models provided a framework for future Integrated Energy System grid evaluations with an advanced nuclear reactor and large-scale hydrogen production using a mathematical model to represent chemical operations.

08 HYDROGEN↗
DOE OSTI2023

Compression of tokamak boundary plasma simulation data using a maximum volume algorithm for matrix skeleton decomposition

This report demonstrates satisfactory data compression of SOLPS-ITER simulation output ranging from 2D fields, 1D profiles, and 0D scalar variables with a novel matrix decomposition approach. The singular value decomposition (SVD) scales poorly for large matrix sizes and is unsuited to the application on high dimensional data common to fusion plasma physics simulation. In this work, we employ the columns-submatrix-rows (CUR) matrix factorization technique in order to compute a low-rank approximation up to two orders of magnitude faster than the SVD, but within a nominal L2-norm relative error of ε = 10 –2 . In addition, the CUR approach maintains the original format of the data, in its extracted columns and rows, allowing for interpretable data storage at the original resolution of the simulation. We utilize an iterative algorithm to compute the CUR decomposition of simulation output by maximizing the volume, or linearly independent information content, of a low-rank submatrix contained within the data. Experiments over $\textit{n} × \textit{n}$ randomized test matrices with embedded rank-deficient features show that this maximum volume implementation of CUR matrix approximation has reduced asymptotic computational complexity on the order of n compared to the SVD, which scales approximately as $n^3$. These results show that the CUR technique can be used to effectively select time step snapshots (columns) of over 140 SOLPS-ITER output variables and the associated discretized coordinate timeseries (rows) allowing for reconstruction of the complete simulation dynamics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

NOx mediated formation of ε – UO 3 during thermal decomposition of uranyl nitrate hexahydrate under static air conditions

The thermal decomposition of uranyl nitrate hexahydrate in air at temperatures of 650 – 800 °C is expected to yield α – U 3 O 8 through intermediate UO 3 phases. Here, n this study, Raman spectroscopy complimented by powder X-ray diffraction revealed the unexpected formation of ε – UO 3 as an accompanying phase during thermal decomposition of UNH at 700 °C under static air conditions. Experiments demonstrated that ε – UO 3 does not form during the initial ramp up stage nor during the high temperature heating period; but instead forms during the cooling stage between 250 – 400 °C. Additional experiments revealed that UNH initially decomposes through an amorphous UO 3 intermediate prior to α – U 3 O 8 formation. Attempts to bypass the U 3 O 8 precursor in the formation of ε – UO 3 were unsuccessful, supporting the necessity of U 3 O 8 (α – U 3 O 8 in this study) in the formation of ε – UO 3 . The observed phase evolution is proposed to result from the NOx species generated during UNH thermal decomposition, which create localized oxidizing conditions within the furnace under static air conditions. Furthermore, a predominantly phase pure ε – UO 3 was synthesized under static air conditions through the addition of an extra plateau at 250 °C during the cooling step. These findings demonstrate the importance of gas-phase chemistry and cooling conditions in uranium oxide phase evolution and provide additional insight into ε – UO 3 formation pathways.

Epsilon uranium trioxide↗
DOE OSTI2020

Effects of charged interfaces on electrolyte decomposition at the lithium metal anode

Lithium–Sulfur batteries are promising candidates to substitute conventional Li-ion batteries due to their higher energy density and reduced cost. However, several challenges related to the reactivity of the lithium metal anode have prevented this technology from becoming broadly commercialized. Lithium's high reactive nature leads to the continuous decomposition of the electrolyte and the formation of the solid-electrolyte interphase (SEI) layer. Thus, a comprehensive understanding of how the SEI film is formed is crucial to help elucidate improvements for this battery technology. In this work, we use density functional theory (DFT) based computational methods to investigate the effect of charged interfaces on the electrolyte degradation at the lithium anode. Here, several electrolyte mixtures were considered including 1,2-dimethoxyethane (DME) and 1,3-dioxolane (DOL) as solvents, and lithium bis(fluorosulfonyl)imide (LiFSI) and lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) as salts. It is found that the extent of salt decomposition is higher when the interface is charged. In addition, two types of solvent reduction mechanisms are identified: C–O bond cleavage and radical attacks. Charge transfer and evolution analysis are characterized in detail. Finally, solvent decomposition reactions are found to become more thermodynamically favorable and their activation barriers to be diminished under the effect of constant potentials and electric fields.

25 ENERGY STORAGE↗
DOE OSTI2021

Imposing equilibrium on experimental 3-D stress fields using Hodge decomposition and FFT-based optimization

Here, we present a methodology to impose micromechanical constraints, i.e. stress equilibrium at grain and sub-grain scale, to an arbitrary (non-equilibrated) voxelized stress field obtained, for example, by means of synchrotron X-ray diffraction techniques. The method consists in finding the equilibrated stress field closest (in L 2 -norm sense) to the measured non-equilibrated stress field, via the solution of an optimization problem. The extraction of the divergence-free (equilibrated) part of a general (non-equilibrated) field is performed using the Hodge decomposition of a symmetric matrix field, which is the generalization of the Helmholtz decomposition of a vector field into the sum of an irrotational field and a solenoidal field. The combination of: a) the Euler–Lagrange equations that solve the optimization problem, and b) the Hodge decomposition, gives a differential expression that contains the bi-harmonic operator and two times the curl operator acting on the experimental stress field. These high-order derivatives can be efficiently performed in Fourier space. The method is applied to filter the non-equilibrated parts of a synthetic piecewise constant stress fields with a known ground truth, and stress fields in Gum Metal, a beta-Ti-based alloy measured in-situ using Diffraction Contrast Tomography (DCT). In both cases, the largest corrections were obtained near grain boundaries.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Plant organic matter inputs exert a strong control on soil organic matter decomposition in a thawing permafrost peatland

Peatlands are climate critical carbon (C) reservoirs that could become a C source under continued warming. A strong relationship between plant tissue chemistry and the soil organic matter (SOM) that fuels C gas emissions is inferred, but rarely examined at the molecular level. Here we compared Fourier transform infrared (FT-IR) spectroscopy measurements of solid phase functionalities in plants and SOM to ultra-high-resolution mass spectrometric analyses of plant and SOM water extracts across a palsa-bog-fen thaw and moisture gradient in an Arctic peatland. From these analyses we calculated the C oxidation state (NOSC), a measure which can be used to assess organic matter quality. Palsa plant extracts had the highest NOSC, indicating high quality, whereas extracts of Sphagnum, which dominated the bog, had the lowest NOSC. The percentage of plant compounds that are less bioavailable and accumulate in the peat, increases from palsa (25%) to fen (41%) to bog (47%), reflecting the pattern of percent Sphagnum cover. The pattern of NOSC in the plant extracts was consistent with the high number of consumed compounds in the palsa and low number of consumed compounds in the bog. However, in the FT-IR analysis of the solid phase bog peat, carbohydrate content was high implying high quality SOM. Here, we explain this discrepancy as the result of low solubilization of bog SOM facilitated by the low pH in the bog which makes the solid phase carbohydrates less available to microbial decomposition. Plant-associated condensed aromatics, tannins, and lignin-like compounds declined in the unsaturated palsa peat indicating decomposition, but lignin-like compounds accumulated in the bog and fen peat where decomposition was presumably inhibited by the anaerobic conditions. A molecular-level comparison of the aboveground C sources and peat SOM demonstrates that climate-associated vegetation shifts in peatlands are important controls on the mechanisms underlying changing C gas emissions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Effect of pressure on TATB and LX-17 thermal decomposition

Thermal decomposition of TATB (1,3,5-triamino-2,4,6-trinitrobenzene) and its formulation LX-17 is studied at pressures from 0.1 to 7 MPa for both isothermal heating at 340 K and ramped heating at 1 to 6 K min -1 . Conditions that eliminate self-heating are thoroughly explored to avoid experimental artifacts. The increase in pressure accelerates the rate of decomposition by only about 10 %, but it substantially increases the enthalpy of the reaction, presumably because of longer volatile product residence times in the heated zone. The narrowness of the decomposition profile and the acceleratory phase during isothermal pyrolysis are consistent with a multistep autocatalytic mechanism, and the lack of a significant pressure effect suggests that the autocatalytic species have low volatility. The apparent activation energy is about 210 kJ/mol.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Investigations into Plasma-Mediated Decomposition of Organoiodide Species as a Pretreatment for Mitigation of Radioiodine Emissions

A plasma-mediated pretreatment step is proposed to decompose methyl iodide (CH 3 I) for facilitating the capture of the iodine radioisotopes present in off-gas streams from used nuclear fuel reprocessing operations. Simulated CH 3 I gas streams were exposed to dielectric barrier discharge (DBD) plasma in a quartz glass continuous-flow reactor using copper electrodes. The kinetics of decomposition of CH 3 I in nitrogen was investigated by varying the applied voltage, inlet concentration, and residence time. The rate of decomposition was proportional to CH 3 I concentration and increased as the applied potential was increased. This effect was incorporated in the kinetics through the dependence of the rate constant on the applied electric field. Decomposition of CH 3 I was not affected by moisture, and the DBD pretreatment is likely to be similarly effective in an air environment as well; however, the results were confounded by a plasma-mediated reaction between nitrogen and oxygen.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2023

A Coverage Self-Consistent Microkinetic Model for Vapor-Phase Formic Acid Decomposition over Pd/C Catalysts

An iterative approach utilizing density functional theory (DFT, PW91-GGA)-informed mean-field microkinetic models and reaction kinetics experiments is used to determine the reaction mechanism and the active site for formic acid (HCOOH, FA) decomposition over a Pd/C catalyst. Models parametrized using DFT energetics on clean Pd(100) and Pd(111) required large corrections to the DFT energetics for capturing our experimental data. Further, both Pd(111) and Pd(100) models predicted a high coverage of adsorbed CO (CO*), inconsistent with the assumption of a clean surface at which the rate parameters for these models were calculated. To better represent the active site under reaction conditions and explicitly account for the presence of CO*, subsequent microkinetic models were formulated using DFT energetics that were calculated on partially (5/9 ML) CO*-covered Pd (111) and (100) facets. Upon parameter adjustment, the resultant 5/9 ML CO*-covered Pd(100) model, although consistent in terms of CO* coverage, was unable to capture the dehydration path measured in the experiments and was, therefore, deemed not to offer an accurate representation of the active site for FA decomposition over Pd/C. In contrast, a partially CO*-covered Pd(111) model was better at representing the catalytic active site, as in addition to being consistent in terms of CO* coverages, it required small adjustments of the DFT parameters to accurately capture the experimental data set (both dehydrogenation and dehydration). Our results suggest that the reaction occurs via the spectroscopically elusive carboxyl (COOH*) intermediate and that spectator CO*-assisted decomposition pathways play an important role under typical experimental conditions. In addition, our study highlights the importance of striving for coverage self-consistent microkinetic models and for including spectator-assisted mechanisms in order to develop an improved picture of the active site under reaction conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Microbial community shifts correspond with suppression of decomposition 25 years after liming of acidic forest soils

Microbial community structure and function regularly covary with soil pH, yet effects of these interactions on soil carbon are rarely tested experimentally within natural ecosystems. We investigated the enduring (25 year) impacts of liming on microbial community structure and decomposition at an acidic northern hardwood forest, where experimental liming increased pH one unit and surprisingly doubled the organic carbon stocks of the forest floor. Here we show that this increase in carbon storage corresponded with restructuring of the bacterial and fungal communities that drive decomposition. In the Oe horizon, liming reduced the activities of five extracellular enzymes that mediate decomposition, while the Oa horizon showed an especially large (64%) reduction in the activity of a sixth, peroxidase, which is an oxidative enzyme central to lignocellulose degradation. Decreased enzyme activities corresponded with loss of microbial taxa important for lignocellulose decay, including large reductions in the dominant ectomycorrhizal genera Russula and Cenococcum, saprotrophic and wood decaying fungi, and Actinobacteria (Thermomonosporaceae). These results demonstrate the importance of pH as a dominant regulator of microbial community structure and illustrate how changes to this structure can produce large, otherwise unexpected increases in carbon storage in forest soils.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Evaluation of residue management practices on barley residue decomposition

Optimizing barley (hordeum vulgare L.) production in Idaho and other parts of the Pacific Northwest (PNW) should focus on farm resource management. The effect of post-harvest residue management on barley residue decomposition has not been adequately studied. Thus, the objective of this study was to determine the effect of residue placement (surface vs. incorporated), residue size (chopped vs. ground-sieved) and soil type (sand and sandy loam) on barley residue decomposition. A 50-day(d) laboratory incubation experiment was conducted at a temperature of 25°C at the Aberdeen Research and Extension Center, Aberdeen, Idaho, USA. Following the study, a Markov-Chain Monte Carlo (MCMC) modeling approach was applied to investigate the first-order decay kinetics of barley residue. An accelerated initial flush of residue carbon(C)-mineralization was measured for the sieved (Day 1) compared to chopped (Day 3 to 5) residues for both surface incorporated applications. The highest evolution of carbon dioxide (CO 2 )-C of 8.3 g kg -1 dry residue was observed on Day 1 from the incorporated-sieved application for both soils. The highest and lowest amount of cumulative CO 2 -C released and percentage residue decomposed over 50-d was observed for surface-chopped (107 g kg -1 dry residue and 27%, respectively) and incorporated-sieved (69 g kg -1 dry residue and 18%, respectively) residues, respectively. There were no significant differences in C-mineralization from barley residue based on soil type or its interactions with residue placement and size (p >0.05). The largest decay constant k of 0.0083 d -1 was calculated for surface-chopped residue where the predicted half-life was 80 d, which did not differ from surface sieved or incorporated chopped. In contrast, incorporated-sieved treatments only resulted in a k of 0.0054 d -1 and would need an additional 48 d to decompose 50% of the residue. Future residue decomposition studies under field conditions are warranted to verify the residue C-mineralization and its impact on residue management.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Parameter Sensitivity Analysis of the SparTen High Performance Sparse Tensor Decomposition Software (Extended Analysis)

Tensor decomposition models play an increasingly important role in modern data science applications. One problem of particular interest is fitting a low-rank Canonical Polyadic (CP) tensor decomposition model when the tensor has sparse structure and the tensor elements are nonnegative count data. SparTen is a high-performance C++ library which computes a low-rank decomposition using different solvers: a first-order quasi-Newton or a second-order damped Newton method, along with the appropriate choice of runtime parameters. Since default parameters in SparTen are tuned to experimental results in prior published work on a single real-world dataset conducted using MATLAB implementations of these methods, it remains unclear if the parameter defaults in SparTen are appropriate for general tensor data. Furthermore, it is unknown how sensitive algorithm convergence is to changes in the input parameter values. This report addresses these unresolved issues with large-scale experimentation on three benchmark tensor data sets. Experiments were conducted on several different CPU architectures and replicated with many initial states to establish generalized profiles of algorithm convergence behavior.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Extended Physics-Informed Neural Networks (XPINNs): A Generalized Space-Time Domain Decomposition Based Deep Learning Framework for Nonlinear Partial Differential Equations

Here we propose a generalized space-time domain decomposition approach for the physics-informed neural networks (PINNs) to solve nonlinear partial differential equations (PDEs) on arbitrary complex-geometry domains. The proposed framework, named eXtended PINNs ( X P I N N s ), further pushes the boundaries of both PINNs as well as conservative PINNs (cPINNs), which is a recently proposed domain decomposition approach in the PINN framework tailored to conservation laws. Compared to PINN, the XPINN method has large representation and parallelization capacity due to the inherent property of deployment of multiple neural networks in the smaller subdomains. Unlike cPINN, XPINN can be extended to any type of PDEs. Moreover, the domain can be decomposed in any arbitrary way (in space and time), which is not possible in cPINN. Thus, XPINN offers both space and time parallelization, thereby reducing the training cost more effectively. In each subdomain, a separate neural network is employed with optimally selected hyperparameters, e.g., depth/width of the network, number and location of residual points, activation function, optimization method, etc. A deep network can be employed in a subdomain with complex solution, whereas a shallow neural network can be used in a subdomain with relatively simple and smooth solutions. We demonstrate the versatility of XPINN by solving both forward and inverse PDE problems, ranging from one-dimensional to three-dimensional problems, from time-dependent to time-independent problems, and from continuous to discontinuous problems, which clearly shows that the XPINN method is promising in many practical problems. The proposed XPINN method is the generalization of PINN and cPINN methods, both in terms of applicability as well as domain decomposition approach, which efficiently lends itself to parallelized computation. The XPINN code is available on h t t p s : / / g i t h u b . c o m / A m e y a J a g t a p / X P I N N s .

97 MATHEMATICS AND COMPUTING↗
NASA NTRSDate not supplied

Spectral Proper Orthogonal Decomposition of uPSP Measurements in Recent NASA Ames Wind Tunnel Test

This paper discusses Spectral Proper Orthogonal Decomposition (SPOD) of the Unsteady Pressure-Sensitive Paint (uPSP) measurements in recent NASA Ames wind tunnel test. The uPSP measurements were collected using Innovative Scientific Solutions, Inc. (ISSI) porous, fast-response pressure-sensitive paint, 40 ISSI four-inch air-cooled Light-Emitting Diodes, and 8 Phantom v2512 high-speed cameras at 10,000 frames per second in the uPSP Launch Vehicle Demonstration Test (LVDT) of the Space Launch System (SLS) vehicle in the 11-by 11-foot transonic test section of the Unitary Plan Wind Tunnel at NASA Ames Research Center in April 2024. SPOD is derived from a space-time proper orthogonal decomposition problem for statistically stationary flows. SPOD modes are determined in the frequency domain. Each SPOD mode oscillates at a single frequency. SPOD can be viewed as an extension of the Discrete Fourier Transform composition and the Dynamic Mode Decomposition. In this paper, the outputs of SPOD of the uPSP measurements in the uPSP LVDT are presented and the effectiveness of SPOD in the identification, diagnosis and analysis of the aerodynamic and aeroacoustic phenomena is demonstrated. The unsteady and dynamic property of the pressure field on the surface of the SLS Block 1B crew vehicle is presented with the visualization of the SPOD modes of the uPSP measurements in the tests of a Mach sweep run of the uPSP LVDT. The SPOD outputs were generated with the execution in parallel of a code in Python, with the library of Message Passing Interface for parallel processing, on the NASA Pleiades supercomputer. The work described in this paper is a part of NASA’s development of a new state-of-the-art uPSP capability in production wind tunnels. Funding was provided by the NASA Aerosciences Evaluation and Test Capabilities Portfolio Office.

Aeroacoustics↗
DOE OSTI2021

Preventing Electrolyte Decomposition on a Ca Metal Electrode Interface Using an Artificial Solid‐Electrolyte Interphase

Abstract Calcium ion batteries are gaining attention as alternatives to lithium‐ion technology because they offer comparable properties at reduced cost and improved safety. However, progress has been limited because of the inability to efficiently and reversibly plate and strip Ca metal anodes in organic electrolytes. Moreover, the inorganic components of the solid‐electrolyte interphase (SEI) that form via decomposition of the electrolyte often do not allow for the diffusion of Ca ions. In this work, an approach combining density functional theory and ab initio molecular dynamics (AIMD) simulations is utilized to show that the use of a preformed artificial SEI layer of amorphous can potentially prevent electrolyte decomposition. First, Ca is shown to be able to intercalate into an amorphous layer (up to Ca 1.5 Al 2 O 3 ) and diffuse through on a reasonable time scale. Through calculation of the density of states, the system is found to remain insulating up to the equilibrium stoichiometry. Finally, AIMD simulations with a realistic organic electrolyte environment are used to show that this calcinated layer completely prevents the decomposition of solvent molecules. This approach can provide a route to efficient rechargeable Ca ion batteries, paving the way for cheap large‐scale energy storage.

Young, Joshua↗
DOE OSTI2022

Formation of Organic Acids and Carbonyl Compounds in n ‐Butane Oxidation via γ‐Ketohydroperoxide Decomposition

Abstract A crucial chain‐branching step in autoignition is the decomposition of ketohydroperoxides (KHP) to form an oxy radical and OH. Other pathways compete with chain‐branching, such as “Korcek” dissociation of γ‐KHP to a carbonyl and an acid. Here we characterize the formation of a γ‐KHP and its decomposition to formic acid+acetone products from observations of n ‐butane oxidation in two complementary experiments. In jet‐stirred reactor measurements, KHP is observed above 590 K. The KHP concentration decreases with increasing temperature, whereas formic acid and acetone products increase. Observation of characteristic isotopologs acetone‐ d 3 and formic acid‐ d 0 in the oxidation of CH 3 CD 2 CD 2 CH 3 is consistent with a Korcek mechanism. In laser‐initiated oxidation experiments of n ‐butane, formic acid and acetone are produced on the timescale of KHP removal. Modelling the time‐resolved production of formic acid provides an estimated upper limit of 2 s −1 for the rate coefficient of KHP decomposition to formic acid+acetone.

Popolan‐Vaida, Denisia M.↗
DOE OSTI2022

Formation of Organic Acids and Carbonyl Compounds in $\textit{n}$-Butane Oxidation via γ-Ketohydroperoxide Decomposition

A crucial chain-branching step in autoignition is the decomposition of ketohydroperoxides (KHP) to form an oxy radical and OH. Other pathways compete with chain-branching, such as “Korcek” dissociation of γ-KHP to a carbonyl and an acid. Here we characterize the formation of a γ-KHP and its decomposition to formic acid+acetone products from observations of $\textit{n}$-butane oxidation in two complementary experiments. In jet-stirred reactor measurements, KHP is observed above 590 K. The KHP concentration decreases with increasing temperature, whereas formic acid and acetone products increase. Observation of characteristic isotopologs acetone-$d_3$ and formic acid-$d_0$ in the oxidation of CH 3 CD 2 CD 2 CH 3 is consistent with a Korcek mechanism. In laser-initiated oxidation experiments of $\textit{n}$-butane, formic acid and acetone are produced on the timescale of KHP removal. Further, modelling the time-resolved production of formic acid provides an estimated upper limit of 2 s –1 for the rate coefficient of KHP decomposition to formic acid+acetone.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗